CID 80073369

Methyl 2-(3,5-dimethoxyphenyl)propanoate

Structural Information

Molecular Formula
C12H16O4
SMILES
CC(C1=CC(=CC(=C1)OC)OC)C(=O)OC
InChI
InChI=1S/C12H16O4/c1-8(12(13)16-4)9-5-10(14-2)7-11(6-9)15-3/h5-8H,1-4H3
InChIKey
BQFXALGXQCIAAU-UHFFFAOYSA-N
Compound name
methyl 2-(3,5-dimethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 147.9
[M+Na]+ 247.09408 155.6
[M-H]- 223.09758 151.9
[M+NH4]+ 242.13868 166.5
[M+K]+ 263.06802 155.6
[M+H-H2O]+ 207.10212 141.8
[M+HCOO]- 269.10306 170.6
[M+CH3COO]- 283.11871 191.0
[M+Na-2H]- 245.07953 150.8
[M]+ 224.10431 153.5
[M]- 224.10541 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.